methyl 2-[(2,4-dihydroxybenzoyl)-methylamino]acetate

C11H13NO5 — CID 43422761

IUPACmethyl 2-[(2,4-dihydroxybenzoyl)-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)c1ccc(O)cc1O
InChIInChI=1S/C11H13NO5/c1-12(6-10(15)17-2)11(16)8-4-3-7(13)5-9(8)14/h3-5,13-14H,6H2,1-2H3
InChIKeyPRAQRGZJUUEMDE-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.34
Rot. Bonds3

About methyl 2-[(2,4-dihydroxybenzoyl)-methylamino]acetate

methyl 2-[(2,4-dihydroxybenzoyl)-methylamino]acetate (PubChem CID 43422761) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is methyl 2-[(2,4-dihydroxybenzoyl)-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2,4-dihydroxybenzoyl)-methylamino]acetate
PubChem CID43422761
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Namemethyl 2-[(2,4-dihydroxybenzoyl)-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)c1ccc(O)cc1O
InChIInChI=1S/C11H13NO5/c1-12(6-10(15)17-2)11(16)8-4-3-7(13)5-9(8)14/h3-5,13-14H,6H2,1-2H3
InChIKeyPRAQRGZJUUEMDE-UHFFFAOYSA-N
XLogP0.34
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(2,4-dihydroxybenzoyl)-methylamino]-2-methylpropanoate
CID 55008203
3-[(2,4-dihydroxybenzoyl)-methylamino]propanoic acid
CID 60989735
methyl 2-[(4-chloro-2-fluorobenzoyl)-methylamino]acetate
CID 43408243
methyl 2-[(5-fluoro-2-hydroxybenzoyl)-methylamino]acetate
CID 115298884
2-[(2-hydroxy-4-methoxybenzoyl)-methylamino]acetic acid
CID 24711323
N-(cyclopentylmethyl)-2,4-dihydroxy-N-methylbenzamide
CID 113347161
methyl 2-[(2-chloro-4-methylbenzoyl)-methylamino]acetate
CID 106509702
methyl 4-[(2-hydroxy-4-methoxybenzoyl)-methylamino]butanoate
CID 60715393
methyl 2-[(4-hydroxy-3-methoxybenzoyl)-methylamino]acetate
CID 110465943
ethyl 2-[(2-fluoro-4-hydroxybenzoyl)-methylamino]acetate
CID 113355630
methyl 2-[(2-methoxybenzoyl)-methylamino]acetate
CID 584991
N-(3-amino-3-sulfanylidenepropyl)-2,4-dihydroxy-N-methylbenzamide
CID 107722045

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,4-dihydroxybenzoyl)-methylamino]acetate?
The IUPAC name of methyl 2-[(2,4-dihydroxybenzoyl)-methylamino]acetate (CID 43422761) is methyl 2-[(2,4-dihydroxybenzoyl)-methylamino]acetate.
What is the SMILES notation for methyl 2-[(2,4-dihydroxybenzoyl)-methylamino]acetate?
The canonical SMILES for methyl 2-[(2,4-dihydroxybenzoyl)-methylamino]acetate is COC(=O)CN(C)C(=O)c1ccc(O)cc1O.
What is the InChIKey of methyl 2-[(2,4-dihydroxybenzoyl)-methylamino]acetate?
The InChIKey is PRAQRGZJUUEMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c1-12(6-10(15)17-2)11(16)8-4-3-7(13)5-9(8)14/h3-5,13-14H,6H2,1-2H3.
What are the key properties of methyl 2-[(2,4-dihydroxybenzoyl)-methylamino]acetate?
methyl 2-[(2,4-dihydroxybenzoyl)-methylamino]acetate has a molecular weight of 239.23 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,4-dihydroxybenzoyl)-methylamino]acetate is sourced from PubChem (CID 43422761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).